Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7498 | 0.97 | — | — | |
| SCHEMBL11794996 | 0.97 | ALDH1A1 (0.50) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| Formaldehyde SCHEMBL2480130 | 0.94 | — | — | |
| Acetic Acid SCHEMBL10937724 | 0.92 | ALDH1A1 (0.45) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| Isopropyl Alcohol SCHEMBL10612397 | 0.87 | FAAH (0.42) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| Vinyl Ether SCHEMBL11079610 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| SCHEMBL15821601 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| SCHEMBL15821600 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| SCHEMBL22811155 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MAPTABCC4LMNASLC15A2 | |
| SCHEMBL15822615 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MAPTABCC4LMNASLC15A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997016450-A1 | ELECTROCHEMICAL OXIDATION IN THE PRODUCTION OF AN EPOXIDE INTERMEDIATE FOR SYNTHESIZING AN HIV PROTEASE INHIBITOR | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |
| WO-1997006164-A1 | PROCESS FOR MAKING AN EPOXIDE VIA THE IODOHYDRIN | MERCK & CO., INC. (US) | 1997-02-20 | — | — | WO | disclosed |
| EP-0748319-A1 | PROCESS FOR MAKING AN EPOXIDE | MERCK & CO. INC. (US) | 1996-12-18 | — | — | EP | disclosed |
| WO-1995023797-A1 | PROCESS FOR MAKING AN EPOXIDE | MERCK & CO., INC. (US) | 1995-09-08 | — | — | WO | disclosed |